2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]-1H-benzimidazole CAS Name: 2-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methyl]-1H-benzimidazole Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=NC3=CC=CC=C3N2)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=NC3=CC=CC=C3N2)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H29N5/c1-2-7-19(8-3-1)27-13-15-28(16-14-27)20-9-6-12-26(17-20)18-23-24-21-10-4-5-11-22(21)25-23/h1-5,7-8,10-11,20H,6,9,12-18H2,(H,24,25)/p+1/t20-/m0/s1